DL-Homocysteic acid

Base Information

• Chemical Name: DL-Homocysteic acid
• CAS No.: 504-33-6
• Molecular Formula: C4H9NO5S
• Molecular Weight: 183.185
• Hs Code.: 2922499990
• European Community (EC) Number: 207-991-0
• UNII: HYA2G5T79L
• DSSTox Substance ID: DTXSID00864543
• Nikkaji Number: J596.497K
• Wikipedia: Homocysteic_acid
• Wikidata: Q27162461
• Mol file: 504-33-6.mol

Synonyms:(DL)-homocysteic acid;2-amino-4-sulfobutanoic acid;DL-homocysteate;DL-homocysteic acid;homocysteic acid;homocysteic acid, (D)-isomer;homocysteic acid, (DL)-isomer;homocysteic acid, (L)-isomer;homocysteic acid, monosodium salt;homocysteic acid, monosodium salt, (+-)-isomer;homocysteic acid, sodium salt, (+-)-isomer

Chemical Property of DL-Homocysteic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 273 °C
• Refractive Index: 1.5480 (estimate)
• PKA: 1.40±0.50(Predicted)
• PSA: 126.07000
• Density: 1.638 g/cm³
• LogP: 0.45730
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: water: soluble50mg/mL, clear to slightly hazy, colorless to yell
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 183.02014356
• Heavy Atom Count: 11
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

DL-Homocysteic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: C(CS(=O)(=O)O)C(C(=O)O)N

Technology Process of DL-Homocysteic acid

There total 4 articles about DL-Homocysteic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ homocysteic acid (504-33-6,1001-13-4)

Guidance literature:

With water; bromine;

Reference yield:

DL-homocystine (462-10-2) + water (7732-18-5) + bromine (7726-95-6) → homocysteic acid (504-33-6,1001-13-4)

Guidance literature:

Reference yield:

DL-homocystine (462-10-2) + water (7732-18-5) + dihydrogen peroxide (7722-84-1) → homocysteic acid (504-33-6,1001-13-4)

Guidance literature:

upstream raw materials:

DL-homocystine

water

dihydrogen peroxide

bromine

Downstream raw materials:

N-(p-toluoyl)homocysteic acid

C₃₅H₄₅N₄O₆S⁽¹⁺⁾

Refernces

Side chain modified 5-deazafolate and 5-deazatetrahydrofolate analogues as mammalian folylpolyglutamate synthetase and glycinamide ribonucleotide formyltransferase inhibitors: Synthesis and in vitro biological evaluation

10.1021/jm00087a012

This research aimed to synthesize and evaluate a series of 5-deazafolate and 5-deazatetrahydrofolate analogues as potential inhibitors of folylpolyglutamate synthetase (FPGS) and glycinamide ribonucleotide formyltransferase (GARFT), enzymes involved in folate metabolism and purine biosynthesis, respectively. The researchers synthesized analogues by replacing the glutamic acid side chain with homocysteic acid (HCysA), 2-amino-4-phosphonobutanoic acid (APBA), and ornithine (Om). The compounds were tested for their inhibitory effects on mouse liver FPGS and GARFT. The results showed that the analogues with HCysA and monoethyl APBA side chains were less active as FPGS inhibitors, while Orn and APBA analogues exhibited competitive inhibition kinetics and were more potent, with Ki values as low as 30 nM.